SCHEMBL9760905

SCHEMBL9760905

COC(c1ccc2nc(C#N)oc2c1)c1cc(OCc2ccc3ccccc3n2)ccc1OCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.44
CYSLTR2 Q9NS75 8/20 0.44
ALOX5AP P20292 3/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9636819 0.82 ALOX5AP (0.42) CYSLTR1CYSLTR2ALOX5APFFAR1AKR1B1
SCHEMBL9760912 0.80 CYSLTR1 (0.48) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL9757136 0.78 CYSLTR1 (0.45) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9757215 0.77 ALOX5AP (0.38) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL9757042 0.74 CYSLTR1 (0.52) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL9757263 0.74 CYSLTR1 (0.35) CYSLTR1CYSLTR2ALOX5APFFAR1AKR1B1
SCHEMBL9757103 0.73 CYSLTR1 (0.49) CYSLTR1CYSLTR2ALOX5APFFAR1AKR1B1
SCHEMBL9757410 0.73 CYSLTR1 (0.50) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL9760316 0.71 CYSLTR1 (0.54) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL9757063 0.71 CYSLTR1 (0.47) CYSLTR1CYSLTR2ALOX5APGPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed